def _testRandom():
from rdkit.ML.DecTree import randomtest
# examples, attrs, nPossibleVals = randomtest.GenRandomExamples(nVars=20, randScale=0.25,
# nExamples=200)
examples, attrs, nPossibleVals = randomtest.GenRandomExamples(nVars=10, randScale=0.5,
nExamples=200)
tree, frac = CrossValidate.CrossValidationDriver(examples, attrs, nPossibleVals)
tree.Print()
tree.Pickle('orig.pkl')
print('original error is:', frac)
print('----Pruning')
newTree, frac2 = PruneTree(tree, tree.GetTrainingExamples(), tree.GetTestExamples())
newTree.Print()
print('pruned error is:', frac2)
newTree.Pickle('prune.pkl')
def testResults(self):
" test the results of CrossValidation "
from rdkit.ML.DecTree import randomtest
from rdkit import RDRandom
RDRandom.seed(self.randomSeed)
examples,attrs,nPossibleVals = randomtest.GenRandomExamples(nExamples = 200,
seed=self.randomArraySeed)
tree,frac = CrossValidate.CrossValidationDriver(examples,attrs,
nPossibleVals,silent=1)
from rdkit.six.moves import cPickle
#cPickle.dump(tree,open(self.origTreeName,'w+'))
with open(self.origTreeName,'r') as inTFile:
buf = inTFile.read().replace('\r\n', '\n').encode('utf-8')
inTFile.close()
with io.BytesIO(buf) as inFile:
oTree = cPickle.load(inFile)
assert oTree==tree,'Random CrossValidation test failed'